5-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-8-nitro-isoquinoline Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-15-3-4-16(2)21(13-15)30(28,29)24-11-9-23(10-12-24)19-5-6-20(25(26)27)18-14-22-8-7-17(18)19/h3-8,13-14H,9-12H2,1-2H3